Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-2.6335 4.7273 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9265 3.7358 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 3.9097 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 2.9590 -0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1280 1.6092 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7130 1.1935 -1.3438 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8988 0.5753 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1215 -0.1711 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -0.8322 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8312 -1.5950 -0.6486 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4811 -0.6106 0.5406 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5157 -1.2241 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8122 -0.7299 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7183 -1.5350 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6710 -0.2721 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4791 -1.3253 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5331 -1.4873 1.2192 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2079 -2.1678 -0.8275 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 -3.2139 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0917 -2.6110 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2160 -2.9285 1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7899 1.1767 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6880 4.6265 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 5.6741 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 2.8014 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1221 4.9085 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2930 3.7804 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5774 0.5785 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 -0.9432 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4840 -2.3187 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3651 -0.9478 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0460 0.3500 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4948 -2.6045 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6600 -1.1911 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4082 0.4338 -1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0694 -0.6506 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5709 -3.7033 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4430 -3.9209 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7756 -1.8957 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5577 -3.6424 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0054 -2.4581 2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1872 1.9400 0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers